(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide

C10H18N2O — CID 71682974

IUPAC(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCNC(=O)C1C[C@H]2CNC[C@@H](C1)C2
InChIInChI=1S/C10H18N2O/c1-11-10(13)9-3-7-2-8(4-9)6-12-5-7/h7-9,12H,2-6H2,1H3,(H,11,13)/t7-,8+,9?
InChIKeyHCZNYXWSHKDVMC-JVHMLUBASA-N
MW182.27 g/mol
LogP0.37
Rot. Bonds1

About (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide

(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 71682974) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID71682974
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCNC(=O)C1C[C@H]2CNC[C@@H](C1)C2
InChIInChI=1S/C10H18N2O/c1-11-10(13)9-3-7-2-8(4-9)6-12-5-7/h7-9,12H,2-6H2,1H3,(H,11,13)/t7-,8+,9?
InChIKeyHCZNYXWSHKDVMC-JVHMLUBASA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 46842798
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131
1-(3-azabicyclo[3.3.1]nonan-7-yl)-2-methylpropan-1-one
CID 25098133
(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide
CID 96839594
3-fluoro-N-methylcyclobutane-1-carboxamide
CID 144873088
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 122644896
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 71682974) is (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide is CNC(=O)C1C[C@H]2CNC[C@@H](C1)C2.
What is the InChIKey of (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is HCZNYXWSHKDVMC-JVHMLUBASA-N. The full InChI is InChI=1S/C10H18N2O/c1-11-10(13)9-3-7-2-8(4-9)6-12-5-7/h7-9,12H,2-6H2,1H3,(H,11,13)/t7-,8+,9?.
What are the key properties of (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 71682974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).